2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene]

C205H136 — CID 21028056

IUPAC2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)CC2(C3)c3ccccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc8c(c7)C7(Cc9c(c(-c%10ccccc%10)c(-c%10ccccc%10)c(-c%10ccccc%10)c9-c9ccccc9)C7)c7ccccc7-8)ccc6-5)c5cc(-c6ccc7c(c6)C6(Cc8c(c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)C6)c6ccccc6-7)ccc5-c5ccc(-c6ccc7c(c6)C6(Cc8c(c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)C6)c6ccccc6-7)cc54)cc32)cc1
InChIInChI=1S/C205H136/c1-17-57-129(58-18-1)185-165-121-201(122-166(165)186(130-59-19-2-20-60-130)194(138-75-35-10-36-76-138)193(185)137-73-33-9-34-74-137)173-93-53-49-89-153(173)157-105-97-145(113-177(157)201)149-101-109-161-162-110-102-150(146-98-106-158-154-90-50-54-94-174(154)202(178(158)114-146)123-167-168(124-202)188(132-63-23-4-24-64-132)196(140-79-39-12-40-80-140)195(139-77-37-11-38-78-139)187(167)131-61-21-3-22-62-131)118-182(162)205(181(161)117-149)183-119-151(147-99-107-159-155-91-51-55-95-175(155)203(179(159)115-147)125-169-170(126-203)190(134-67-27-6-28-68-134)198(142-83-43-14-44-84-142)197(141-81-41-13-42-82-141)189(169)133-65-25-5-26-66-133)103-111-163(183)164-112-104-152(120-184(164)205)148-100-108-160-156-92-52-56-96-176(156)204(180(160)116-148)127-171-172(128-204)192(136-71-31-8-32-72-136)200(144-87-47-16-48-88-144)199(143-85-45-15-46-86-143)191(171)135-69-29-7-30-70-135/h1-120H,121-128H2
InChIKeyONRYGHGFQBGPKJ-UHFFFAOYSA-N
MW2599.34 g/mol
LogP51.63
Rot. Bonds20

About 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene]

2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene] (PubChem CID 21028056) has the molecular formula C205H136 and a molecular weight of 2599.34 g/mol. Its IUPAC name is 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene]
PubChem CID21028056
Molecular FormulaC205H136
Molecular Weight2599.34 g/mol
Exact Mass2597.06
IUPAC Name2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)CC2(C3)c3ccccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc8c(c7)C7(Cc9c(c(-c%10ccccc%10)c(-c%10ccccc%10)c(-c%10ccccc%10)c9-c9ccccc9)C7)c7ccccc7-8)ccc6-5)c5cc(-c6ccc7c(c6)C6(Cc8c(c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)C6)c6ccccc6-7)ccc5-c5ccc(-c6ccc7c(c6)C6(Cc8c(c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)C6)c6ccccc6-7)cc54)cc32)cc1
InChIInChI=1S/C205H136/c1-17-57-129(58-18-1)185-165-121-201(122-166(165)186(130-59-19-2-20-60-130)194(138-75-35-10-36-76-138)193(185)137-73-33-9-34-74-137)173-93-53-49-89-153(173)157-105-97-145(113-177(157)201)149-101-109-161-162-110-102-150(146-98-106-158-154-90-50-54-94-174(154)202(178(158)114-146)123-167-168(124-202)188(132-63-23-4-24-64-132)196(140-79-39-12-40-80-140)195(139-77-37-11-38-78-139)187(167)131-61-21-3-22-62-131)118-182(162)205(181(161)117-149)183-119-151(147-99-107-159-155-91-51-55-95-175(155)203(179(159)115-147)125-169-170(126-203)190(134-67-27-6-28-68-134)198(142-83-43-14-44-84-142)197(141-81-41-13-42-82-141)189(169)133-65-25-5-26-66-133)103-111-163(183)164-112-104-152(120-184(164)205)148-100-108-160-156-92-52-56-96-176(156)204(180(160)116-148)127-171-172(128-204)192(136-71-31-8-32-72-136)200(144-87-47-16-48-88-144)199(143-85-45-15-46-86-143)191(171)135-69-29-7-30-70-135/h1-120H,121-128H2
InChIKeyONRYGHGFQBGPKJ-UHFFFAOYSA-N
XLogP51.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms205
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002599.34
LogP ≤ 551.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 158891851
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
4-phenyl-2-[4-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 88557841
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393

Frequently Asked Questions

What is the IUPAC name of 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene] (CID 21028056) is 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene] is c1ccc(-c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)CC2(C3)c3ccccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc8c(c7)C7(Cc9c(c(-c%10ccccc%10)c(-c%10ccccc%10)c(-c%10ccccc%10)c9-c9ccccc9)C7)c7ccccc7-8)ccc6-5)c5cc(-c6ccc7c(c6)C6(Cc8c(c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)C6)c6ccccc6-7)ccc5-c5ccc(-c6ccc7c(c6)C6(Cc8c(c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)C6)c6ccccc6-7)cc54)cc32)cc1.
What is the InChIKey of 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene]?
The InChIKey is ONRYGHGFQBGPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C205H136/c1-17-57-129(58-18-1)185-165-121-201(122-166(165)186(130-59-19-2-20-60-130)194(138-75-35-10-36-76-138)193(185)137-73-33-9-34-74-137)173-93-53-49-89-153(173)157-105-97-145(113-177(157)201)149-101-109-161-162-110-102-150(146-98-106-158-154-90-50-54-94-174(154)202(178(158)114-146)123-167-168(124-202)188(132-63-23-4-24-64-132)196(140-79-39-12-40-80-140)195(139-77-37-11-38-78-139)187(167)131-61-21-3-22-62-131)118-182(162)205(181(161)117-149)183-119-151(147-99-107-159-155-91-51-55-95-175(155)203(179(159)115-147)125-169-170(126-203)190(134-67-27-6-28-68-134)198(142-83-43-14-44-84-142)197(141-81-41-13-42-82-141)189(169)133-65-25-5-26-66-133)103-111-163(183)164-112-104-152(120-184(164)205)148-100-108-160-156-92-52-56-96-176(156)204(180(160)116-148)127-171-172(128-204)192(136-71-31-8-32-72-136)200(144-87-47-16-48-88-144)199(143-85-45-15-46-86-143)191(171)135-69-29-7-30-70-135/h1-120H,121-128H2.
What are the key properties of 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene]?
2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene] has a molecular weight of 2599.34 g/mol, XLogP of 51.63, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',7,7'-tetrakis(4,5,6,7-tetraphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 21028056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).