9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine

C104H68N2 — CID 59136653

IUPAC9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc45)cc32)cc1
InChIInChI=1S/C104H68N2/c1-5-37-75(38-6-1)103(76-39-7-2-8-40-76)93-51-23-21-49-85(93)87-61-57-73(65-95(87)103)101-89-63-59-80(106(99-55-27-35-71-31-15-19-47-83(71)99)100-56-28-36-72-32-16-20-48-84(72)100)68-92(89)102(74-58-62-88-86-50-22-24-52-94(86)104(96(88)66-74,77-41-9-3-10-42-77)78-43-11-4-12-44-78)90-64-60-79(67-91(90)101)105(97-53-25-33-69-29-13-17-45-81(69)97)98-54-26-34-70-30-14-18-46-82(70)98/h1-68H
InChIKeyRXAXGRNIBXGHEG-UHFFFAOYSA-N
MW1345.70 g/mol
LogP27.61
Rot. Bonds12

About 9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine

9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine (PubChem CID 59136653) has the molecular formula C104H68N2 and a molecular weight of 1345.70 g/mol. Its IUPAC name is 9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine.

Molecular Properties

Compound Name9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine
PubChem CID59136653
Molecular FormulaC104H68N2
Molecular Weight1345.70 g/mol
Exact Mass1344.54
IUPAC Name9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc45)cc32)cc1
InChIInChI=1S/C104H68N2/c1-5-37-75(38-6-1)103(76-39-7-2-8-40-76)93-51-23-21-49-85(93)87-61-57-73(65-95(87)103)101-89-63-59-80(106(99-55-27-35-71-31-15-19-47-83(71)99)100-56-28-36-72-32-16-20-48-84(72)100)68-92(89)102(74-58-62-88-86-50-22-24-52-94(86)104(96(88)66-74,77-41-9-3-10-42-77)78-43-11-4-12-44-78)90-64-60-79(67-91(90)101)105(97-53-25-33-69-29-13-17-45-81(69)97)98-54-26-34-70-30-14-18-46-82(70)98/h1-68H
InChIKeyRXAXGRNIBXGHEG-UHFFFAOYSA-N
XLogP27.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.70
LogP ≤ 527.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 146247670
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169064351
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-[4-[10-[4-(dinaphthalen-1-ylamino)phenyl]anthracen-9-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[9-[4-(dinaphthalen-2-ylamino)phenyl]fluoren-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine
CID 161106636
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 146247516
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168790205
9-(4-ethenylphenyl)-N-[4-[4-[4-[[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170070824
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 169065537
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
7,7-diphenyl-N,N-bis(4-phenylphenyl)benzo[c]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[c]fluoren-11-amine;N,N,7,7-tetraphenylbenzo[c]fluoren-4-amine;N,7,7-triphenyl-N-(4-phenylphenyl)benzo[c]fluoren-4-amine
CID 160577595

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine?
The IUPAC name of 9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine (CID 59136653) is 9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine.
What is the SMILES notation for 9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine?
The canonical SMILES for 9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc45)cc32)cc1.
What is the InChIKey of 9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine?
The InChIKey is RXAXGRNIBXGHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H68N2/c1-5-37-75(38-6-1)103(76-39-7-2-8-40-76)93-51-23-21-49-85(93)87-61-57-73(65-95(87)103)101-89-63-59-80(106(99-55-27-35-71-31-15-19-47-83(71)99)100-56-28-36-72-32-16-20-48-84(72)100)68-92(89)102(74-58-62-88-86-50-22-24-52-94(86)104(96(88)66-74,77-41-9-3-10-42-77)78-43-11-4-12-44-78)90-64-60-79(67-91(90)101)105(97-53-25-33-69-29-13-17-45-81(69)97)98-54-26-34-70-30-14-18-46-82(70)98/h1-68H.
What are the key properties of 9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine?
9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine has a molecular weight of 1345.70 g/mol, XLogP of 27.61, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine is sourced from PubChem (CID 59136653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).