1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine

C216H172N2 — CID 170258203

IUPAC1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)cc(C)c1-c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5c(C)cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc6-7)cc5C)cc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccc(-c8c(C)cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc8C)cc7)cc6)c6ccc(-c7ccc(-c8c(C)cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc8C)cc7)cc6)ccc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C216H172N2/c1-125-105-159(155-75-97-179-175-93-71-151(117-193(175)213(17,18)197(179)121-155)147-67-89-171-167-33-25-29-37-185(167)209(9,10)189(171)113-147)106-126(2)203(125)141-49-41-133(42-50-141)137-57-81-163(82-58-137)217(164-83-59-138(60-84-164)134-43-51-142(52-44-134)204-127(3)107-160(108-128(204)4)156-76-98-180-176-94-72-152(118-194(176)214(19,20)198(180)122-156)148-68-90-172-168-34-26-30-38-186(168)210(11,12)190(172)114-148)201-103-79-145-66-102-184-202(104-80-146-65-101-183(201)207(145)208(146)184)218(165-85-61-139(62-86-165)135-45-53-143(54-46-135)205-129(5)109-161(110-130(205)6)157-77-99-181-177-95-73-153(119-195(177)215(21,22)199(181)123-157)149-69-91-173-169-35-27-31-39-187(169)211(13,14)191(173)115-149)166-87-63-140(64-88-166)136-47-55-144(56-48-136)206-131(7)111-162(112-132(206)8)158-78-100-182-178-96-74-154(120-196(178)216(23,24)200(182)124-158)150-70-92-174-170-36-28-32-40-188(170)212(15,16)192(174)116-150/h25-124H,1-24H3
InChIKeyDPILQQVCBREANM-UHFFFAOYSA-N
MW2795.77 g/mol
LogP59.11
Rot. Bonds22

About 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine

1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine (PubChem CID 170258203) has the molecular formula C216H172N2 and a molecular weight of 2795.77 g/mol. Its IUPAC name is 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine
PubChem CID170258203
Molecular FormulaC216H172N2
Molecular Weight2795.77 g/mol
Exact Mass2793.35
IUPAC Name1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)cc(C)c1-c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5c(C)cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc6-7)cc5C)cc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccc(-c8c(C)cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc8C)cc7)cc6)c6ccc(-c7ccc(-c8c(C)cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc8C)cc7)cc6)ccc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C216H172N2/c1-125-105-159(155-75-97-179-175-93-71-151(117-193(175)213(17,18)197(179)121-155)147-67-89-171-167-33-25-29-37-185(167)209(9,10)189(171)113-147)106-126(2)203(125)141-49-41-133(42-50-141)137-57-81-163(82-58-137)217(164-83-59-138(60-84-164)134-43-51-142(52-44-134)204-127(3)107-160(108-128(204)4)156-76-98-180-176-94-72-152(118-194(176)214(19,20)198(180)122-156)148-68-90-172-168-34-26-30-38-186(168)210(11,12)190(172)114-148)201-103-79-145-66-102-184-202(104-80-146-65-101-183(201)207(145)208(146)184)218(165-85-61-139(62-86-165)135-45-53-143(54-46-135)205-129(5)109-161(110-130(205)6)157-77-99-181-177-95-73-153(119-195(177)215(21,22)199(181)123-157)149-69-91-173-169-35-27-31-39-187(169)211(13,14)191(173)115-149)166-87-63-140(64-88-166)136-47-55-144(56-48-136)206-131(7)111-162(112-132(206)8)158-78-100-182-178-96-74-154(120-196(178)216(23,24)200(182)124-158)150-70-92-174-170-36-28-32-40-188(170)212(15,16)192(174)116-150/h25-124H,1-24H3
InChIKeyDPILQQVCBREANM-UHFFFAOYSA-N
XLogP59.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms218
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002795.77
LogP ≤ 559.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine with MolForge

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Related Compounds

6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine
CID 138666683
6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-dinaphthalen-2-ylchrysene-6,12-diamine
CID 138667164
9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine
CID 138666682
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
CID 139498825
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167411485
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232078
N-(4-tert-butylphenyl)-N-[4-[7-[4-(4-tert-butyl-N-pyren-1-ylanilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]pyren-1-amine
CID 58905963
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine
CID 129085794
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine?
The IUPAC name of 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine (CID 170258203) is 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine.
What is the SMILES notation for 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine?
The canonical SMILES for 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine is Cc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)cc(C)c1-c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5c(C)cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc6-7)cc5C)cc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccc(-c8c(C)cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc8C)cc7)cc6)c6ccc(-c7ccc(-c8c(C)cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc9-%10)cc8C)cc7)cc6)ccc6ccc3c4c65)cc2)cc1.
What is the InChIKey of 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine?
The InChIKey is DPILQQVCBREANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C216H172N2/c1-125-105-159(155-75-97-179-175-93-71-151(117-193(175)213(17,18)197(179)121-155)147-67-89-171-167-33-25-29-37-185(167)209(9,10)189(171)113-147)106-126(2)203(125)141-49-41-133(42-50-141)137-57-81-163(82-58-137)217(164-83-59-138(60-84-164)134-43-51-142(52-44-134)204-127(3)107-160(108-128(204)4)156-76-98-180-176-94-72-152(118-194(176)214(19,20)198(180)122-156)148-68-90-172-168-34-26-30-38-186(168)210(11,12)190(172)114-148)201-103-79-145-66-102-184-202(104-80-146-65-101-183(201)207(145)208(146)184)218(165-85-61-139(62-86-165)135-45-53-143(54-46-135)205-129(5)109-161(110-130(205)6)157-77-99-181-177-95-73-153(119-195(177)215(21,22)199(181)123-157)149-69-91-173-169-35-27-31-39-187(169)211(13,14)191(173)115-149)166-87-63-140(64-88-166)136-47-55-144(56-48-136)206-131(7)111-162(112-132(206)8)158-78-100-182-178-96-74-154(120-196(178)216(23,24)200(182)124-158)150-70-92-174-170-36-28-32-40-188(170)212(15,16)192(174)116-150/h25-124H,1-24H3.
What are the key properties of 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine?
1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine has a molecular weight of 2795.77 g/mol, XLogP of 59.11, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine is sourced from PubChem (CID 170258203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).