1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine

C75H52N2 — CID 154020367

IUPAC1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine
SMILESc1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)-c2cccc(N(c4ccccc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c2C3)cc1
InChIInChI=1S/C75H52N2/c1-5-22-53(23-6-1)74(69-35-17-13-30-63(69)64-31-14-18-36-70(64)74)55-41-46-59(47-42-55)76(57-26-9-3-10-27-57)61-45-40-52-50-68-62(67(52)51-61)34-21-39-73(68)77(58-28-11-4-12-29-58)60-48-43-56(44-49-60)75(54-24-7-2-8-25-54)71-37-19-15-32-65(71)66-33-16-20-38-72(66)75/h1-49,51H,50H2
InChIKeyASRQINHPFCAOTA-UHFFFAOYSA-N
MW981.25 g/mol
LogP18.92
Rot. Bonds10

About 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine

1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine (PubChem CID 154020367) has the molecular formula C75H52N2 and a molecular weight of 981.25 g/mol. Its IUPAC name is 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine
PubChem CID154020367
Molecular FormulaC75H52N2
Molecular Weight981.25 g/mol
Exact Mass980.41
IUPAC Name1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine
SMILESc1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)-c2cccc(N(c4ccccc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c2C3)cc1
InChIInChI=1S/C75H52N2/c1-5-22-53(23-6-1)74(69-35-17-13-30-63(69)64-31-14-18-36-70(64)74)55-41-46-59(47-42-55)76(57-26-9-3-10-27-57)61-45-40-52-50-68-62(67(52)51-61)34-21-39-73(68)77(58-28-11-4-12-29-58)60-48-43-56(44-49-60)75(54-24-7-2-8-25-54)71-37-19-15-32-65(71)66-33-16-20-38-72(66)75/h1-49,51H,50H2
InChIKeyASRQINHPFCAOTA-UHFFFAOYSA-N
XLogP18.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.25
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine
CID 151225285
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
1-N-(9,9-diphenylfluoren-3-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096776
4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline
CID 134944054
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 158652942
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine?
The IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine (CID 154020367) is 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine?
The canonical SMILES for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine is c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)-c2cccc(N(c4ccccc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c2C3)cc1.
What is the InChIKey of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine?
The InChIKey is ASRQINHPFCAOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N2/c1-5-22-53(23-6-1)74(69-35-17-13-30-63(69)64-31-14-18-36-70(64)74)55-41-46-59(47-42-55)76(57-26-9-3-10-27-57)61-45-40-52-50-68-62(67(52)51-61)34-21-39-73(68)77(58-28-11-4-12-29-58)60-48-43-56(44-49-60)75(54-24-7-2-8-25-54)71-37-19-15-32-65(71)66-33-16-20-38-72(66)75/h1-49,51H,50H2.
What are the key properties of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine?
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine has a molecular weight of 981.25 g/mol, XLogP of 18.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine is sourced from PubChem (CID 154020367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).