N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine

C126H84N4 — CID 146576508

IUPACN-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(N(c6ccc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc(-c%11cccc(N(c%12ccc%13c(c%12)C(c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12-%13)c%12cccc%13ccccc%12%13)c%11)cc%10)ccc98)cc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)cc4)ccc32)cc1
InChIInChI=1S/C126H84N4/c1-6-33-96(34-7-1)125(97-35-8-2-9-36-97)116-50-22-18-46-108(116)110-75-73-105(83-118(110)125)127(103-43-26-31-92(79-103)87-55-59-89(60-56-87)94-67-77-123-114(81-94)112-48-20-24-52-121(112)129(123)100-41-14-5-15-42-100)101-69-63-85(64-70-101)86-65-71-102(72-66-86)130-122-53-25-21-49-113(122)115-82-95(68-78-124(115)130)90-61-57-88(58-62-90)93-32-27-44-104(80-93)128(120-54-28-30-91-29-16-17-45-107(91)120)106-74-76-111-109-47-19-23-51-117(109)126(119(111)84-106,98-37-10-3-11-38-98)99-39-12-4-13-40-99/h1-84H
InChIKeyKLUUOOZALRUUMU-UHFFFAOYSA-N
MW1654.09 g/mol
LogP33.03
Rot. Bonds17

About N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine

N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 146576508) has the molecular formula C126H84N4 and a molecular weight of 1654.09 g/mol. Its IUPAC name is N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
PubChem CID146576508
Molecular FormulaC126H84N4
Molecular Weight1654.09 g/mol
Exact Mass1652.67
IUPAC NameN-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(N(c6ccc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc(-c%11cccc(N(c%12ccc%13c(c%12)C(c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12-%13)c%12cccc%13ccccc%12%13)c%11)cc%10)ccc98)cc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)cc4)ccc32)cc1
InChIInChI=1S/C126H84N4/c1-6-33-96(34-7-1)125(97-35-8-2-9-36-97)116-50-22-18-46-108(116)110-75-73-105(83-118(110)125)127(103-43-26-31-92(79-103)87-55-59-89(60-56-87)94-67-77-123-114(81-94)112-48-20-24-52-121(112)129(123)100-41-14-5-15-42-100)101-69-63-85(64-70-101)86-65-71-102(72-66-86)130-122-53-25-21-49-113(122)115-82-95(68-78-124(115)130)90-61-57-88(58-62-90)93-32-27-44-104(80-93)128(120-54-28-30-91-29-16-17-45-107(91)120)106-74-76-111-109-47-19-23-51-117(109)126(119(111)84-106,98-37-10-3-11-38-98)99-39-12-4-13-40-99/h1-84H
InChIKeyKLUUOOZALRUUMU-UHFFFAOYSA-N
XLogP33.03
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms130
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001654.09
LogP ≤ 533.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine (CID 146576508) is N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(N(c6ccc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc(-c%11cccc(N(c%12ccc%13c(c%12)C(c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12-%13)c%12cccc%13ccccc%12%13)c%11)cc%10)ccc98)cc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is KLUUOOZALRUUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H84N4/c1-6-33-96(34-7-1)125(97-35-8-2-9-36-97)116-50-22-18-46-108(116)110-75-73-105(83-118(110)125)127(103-43-26-31-92(79-103)87-55-59-89(60-56-87)94-67-77-123-114(81-94)112-48-20-24-52-121(112)129(123)100-41-14-5-15-42-100)101-69-63-85(64-70-101)86-65-71-102(72-66-86)130-122-53-25-21-49-113(122)115-82-95(68-78-124(115)130)90-61-57-88(58-62-90)93-32-27-44-104(80-93)128(120-54-28-30-91-29-16-17-45-107(91)120)106-74-76-111-109-47-19-23-51-117(109)126(119(111)84-106,98-37-10-3-11-38-98)99-39-12-4-13-40-99/h1-84H.
What are the key properties of N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine?
N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 1654.09 g/mol, XLogP of 33.03, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 146576508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).